2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine

C14H23N3 — CID 79245128

IUPAC2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(CN(CC(C)C)C2CC2)c1
InChIInChI=1S/C14H23N3/c1-11(2)9-17(14-4-5-14)10-13-8-12(15-3)6-7-16-13/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyRLDZJPFOXGWFRA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.74
Rot. Bonds6

About 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine

2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine (PubChem CID 79245128) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine
PubChem CID79245128
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(CN(CC(C)C)C2CC2)c1
InChIInChI=1S/C14H23N3/c1-11(2)9-17(14-4-5-14)10-13-8-12(15-3)6-7-16-13/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyRLDZJPFOXGWFRA-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine (CID 79245128) is 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine is CNc1ccnc(CN(CC(C)C)C2CC2)c1.
What is the InChIKey of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine?
The InChIKey is RLDZJPFOXGWFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)9-17(14-4-5-14)10-13-8-12(15-3)6-7-16-13/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine?
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79245128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).